Mrv1652310211600002D          

 32 35  0  0  1  0            999 V2000
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    1.1270   -4.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
DB12339

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(=O)NC[C@H]1CN(C(=O)O1)C1=CC=C(C(F)=C1)C1=CC=C(CNCC2=CN=NN2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1

> <INCHI_KEY>
BTTNOGHPGJANSW-IBGZPJMESA-N

> <FORMULA>
C22H23FN6O3

> <MOLECULAR_WEIGHT>
438.463

> <EXACT_MASS>
438.181566788

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
45.19410919145645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-{[(5S)-3-[2-fluoro-4'-({[(1H-1,2,3-triazol-5-yl)methyl]amino}methyl)-[1,1'-biphenyl]-4-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide

> <ALOGPS_LOGP>
1.23

> <JCHEM_LOGP>
1.2898434493371318

> <ALOGPS_LOGS>
-4.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
15.09396055127802

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.558030805171281

> <JCHEM_PKA_STRONGEST_BASIC>
7.461293102680865

> <JCHEM_POLAR_SURFACE_AREA>
112.24000000000001

> <JCHEM_REFRACTIVITY>
115.89040000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.30e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
radezolid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB12339

> <SECONDARY_ACCESSION_NUMBERS>
DB05963

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Radezolid

> <SYNONYMS>
Radezolid

> <SALTS>
Radezolid hydrochloride

$$$$